6-(4-chloro-3-methoxyphenyl)piperidine-2-carboxylic acid

C13H16ClNO3 — CID 112574328

IUPAC6-(4-chloro-3-methoxyphenyl)piperidine-2-carboxylic acid
SMILESCOc1cc(C2CCCC(C(=O)O)N2)ccc1Cl
InChIInChI=1S/C13H16ClNO3/c1-18-12-7-8(5-6-9(12)14)10-3-2-4-11(15-10)13(16)17/h5-7,10-11,15H,2-4H2,1H3,(H,16,17)
InChIKeyCWHANOJGGKOGPN-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.62
Rot. Bonds3

About 6-(4-chloro-3-methoxyphenyl)piperidine-2-carboxylic acid

6-(4-chloro-3-methoxyphenyl)piperidine-2-carboxylic acid (PubChem CID 112574328) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 6-(4-chloro-3-methoxyphenyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-chloro-3-methoxyphenyl)piperidine-2-carboxylic acid
PubChem CID112574328
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name6-(4-chloro-3-methoxyphenyl)piperidine-2-carboxylic acid
SMILESCOc1cc(C2CCCC(C(=O)O)N2)ccc1Cl
InChIInChI=1S/C13H16ClNO3/c1-18-12-7-8(5-6-9(12)14)10-3-2-4-11(15-10)13(16)17/h5-7,10-11,15H,2-4H2,1H3,(H,16,17)
InChIKeyCWHANOJGGKOGPN-UHFFFAOYSA-N
XLogP2.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(4-chloro-3-methoxyphenyl)piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-fluoro-4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 112693405
6-(3-fluoro-4-methylphenyl)piperidine-2-carboxylic acid
CID 107129376
(2S)-2-(4-chloro-3-methoxyphenyl)azetidine
CID 55270648
2-(4-chloro-3-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 81021525
5-(2,3-dichloro-6-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 175831393
(2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 67874510
6-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-2-carboxylic acid
CID 107290045
(4R)-4-(4-chloro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185245
6-thiophen-3-ylpiperidine-2-carboxylic acid
CID 112698967
methyl (2R,6S)-6-(3-fluorophenyl)piperidine-2-carboxylate
CID 24770518
N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide
CID 107621689
(4-chloro-3-methoxyphenyl)-cyclopropylmethanone
CID 79700352

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-methoxyphenyl)piperidine-2-carboxylic acid?
The IUPAC name of 6-(4-chloro-3-methoxyphenyl)piperidine-2-carboxylic acid (CID 112574328) is 6-(4-chloro-3-methoxyphenyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 6-(4-chloro-3-methoxyphenyl)piperidine-2-carboxylic acid?
The canonical SMILES for 6-(4-chloro-3-methoxyphenyl)piperidine-2-carboxylic acid is COc1cc(C2CCCC(C(=O)O)N2)ccc1Cl.
What is the InChIKey of 6-(4-chloro-3-methoxyphenyl)piperidine-2-carboxylic acid?
The InChIKey is CWHANOJGGKOGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-18-12-7-8(5-6-9(12)14)10-3-2-4-11(15-10)13(16)17/h5-7,10-11,15H,2-4H2,1H3,(H,16,17).
What are the key properties of 6-(4-chloro-3-methoxyphenyl)piperidine-2-carboxylic acid?
6-(4-chloro-3-methoxyphenyl)piperidine-2-carboxylic acid has a molecular weight of 269.73 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-methoxyphenyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 112574328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).